5-(trifluoromethyl)-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one

C6H3F3N4O — CID 162518235

IUPAC5-(trifluoromethyl)-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one
SMILESO=c1[nH]c(C(F)(F)F)nc2cn[nH]c12
InChIInChI=1S/C6H3F3N4O/c7-6(8,9)5-11-2-1-10-13-3(2)4(14)12-5/h1H,(H,10,13)(H,11,12,14)
InChIKeyUYPSXKHEEJANPL-UHFFFAOYSA-N
MW204.11 g/mol
LogP0.67
Rot. Bonds

About 5-(trifluoromethyl)-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one

5-(trifluoromethyl)-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 162518235) has the molecular formula C6H3F3N4O and a molecular weight of 204.11 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-(trifluoromethyl)-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one
PubChem CID162518235
Molecular FormulaC6H3F3N4O
Molecular Weight204.11 g/mol
Exact Mass204.03
IUPAC Name5-(trifluoromethyl)-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one
SMILESO=c1[nH]c(C(F)(F)F)nc2cn[nH]c12
InChIInChI=1S/C6H3F3N4O/c7-6(8,9)5-11-2-1-10-13-3(2)4(14)12-5/h1H,(H,10,13)(H,11,12,14)
InChIKeyUYPSXKHEEJANPL-UHFFFAOYSA-N
XLogP0.67
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.11
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(trifluoromethyl)-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5-(trifluoromethyl)-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one (CID 162518235) is 5-(trifluoromethyl)-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5-(trifluoromethyl)-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5-(trifluoromethyl)-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one is O=c1[nH]c(C(F)(F)F)nc2cn[nH]c12.
What is the InChIKey of 5-(trifluoromethyl)-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is UYPSXKHEEJANPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N4O/c7-6(8,9)5-11-2-1-10-13-3(2)4(14)12-5/h1H,(H,10,13)(H,11,12,14).
What are the key properties of 5-(trifluoromethyl)-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one?
5-(trifluoromethyl)-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 204.11 g/mol, XLogP of 0.67, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 162518235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).